methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate

C14H19NO6S — CID 68873927

IUPACmethyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate
SMILESCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1C(=O)OC
InChIInChI=1S/C14H19NO6S/c1-3-21-13-10-11(4-5-12(13)14(16)19-2)22(17,18)15-6-8-20-9-7-15/h4-5,10H,3,6-9H2,1-2H3
InChIKeyOCWCJFQEIQRHLA-UHFFFAOYSA-N
MW329.37 g/mol
LogP0.89
Rot. Bonds5

About methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate

methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate (PubChem CID 68873927) has the molecular formula C14H19NO6S and a molecular weight of 329.37 g/mol. Its IUPAC name is methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Namemethyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate
PubChem CID68873927
Molecular FormulaC14H19NO6S
Molecular Weight329.37 g/mol
Exact Mass329.09
IUPAC Namemethyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate
SMILESCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1C(=O)OC
InChIInChI=1S/C14H19NO6S/c1-3-21-13-10-11(4-5-12(13)14(16)19-2)22(17,18)15-6-8-20-9-7-15/h4-5,10H,3,6-9H2,1-2H3
InChIKeyOCWCJFQEIQRHLA-UHFFFAOYSA-N
XLogP0.89
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
methyl 4-(4-methylpiperazin-1-yl)sulfonyl-2-propoxybenzoate
CID 10784483
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate
CID 9331544
4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine
CID 166828516
(2S)-2-amino-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119268074
N-[(2-ethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43908455
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
methyl 1-methyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxylate
CID 3514261
2-(2-ethoxy-5-morpholin-4-ylsulfonylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55502727
4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
CID 4688141
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide
CID 8502005

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate (CID 68873927) is methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate is CCOc1cc(S(=O)(=O)N2CCOCC2)ccc1C(=O)OC.
What is the InChIKey of methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is OCWCJFQEIQRHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6S/c1-3-21-13-10-11(4-5-12(13)14(16)19-2)22(17,18)15-6-8-20-9-7-15/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate?
methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 329.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 68873927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).